N-cyclopropyl-2-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-cyclopropyl-2-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-cyclopropyl-2-[[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-cyclopropyl-2-[[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: N-cyclopropyl-2-[[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: 2-[[2-[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-N-cyclopropyl-benzamide Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1CC1NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C25H30N4O3/c30-24(27-22-4-2-1-3-21(22)25(31)26-20-6-7-20)17-29-12-10-28(11-13-29)16-18-5-8-23-19(15-18)9-14-32-23/h1-5,8,15,20H,6-7,9-14,16-17H2,(H,26,31)(H,27,30)/p+1